(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide

C18H25N3O — CID 119956583

IUPAC(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCCC1
InChIInChI=1S/C18H25N3O/c19-16(18(22)20-10-9-13-5-1-2-6-13)11-14-12-21-17-8-4-3-7-15(14)17/h3-4,7-8,12-13,16,21H,1-2,5-6,9-11,19H2,(H,20,22)/t16-/m0/s1
InChIKeyWOLRZVNUAFOJKT-INIZCTEOSA-N
MW299.42 g/mol
LogP2.73
Rot. Bonds6

About (2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide

(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 119956583) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
PubChem CID119956583
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCCC1
InChIInChI=1S/C18H25N3O/c19-16(18(22)20-10-9-13-5-1-2-6-13)11-14-12-21-17-8-4-3-7-15(14)17/h3-4,7-8,12-13,16,21H,1-2,5-6,9-11,19H2,(H,20,22)/t16-/m0/s1
InChIKeyWOLRZVNUAFOJKT-INIZCTEOSA-N
XLogP2.73
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide
CID 119956783
(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956782
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164549538
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide (CID 119956583) is (2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCCC1.
What is the InChIKey of (2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is WOLRZVNUAFOJKT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O/c19-16(18(22)20-10-9-13-5-1-2-6-13)11-14-12-21-17-8-4-3-7-15(14)17/h3-4,7-8,12-13,16,21H,1-2,5-6,9-11,19H2,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide?
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 299.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 119956583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).